Compound Detail
CHEMBL281932
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Basic Information
| ChEMBL ID | CHEMBL281932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFSVGJPKLUWVIK-MLGOLLRUSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.04
ALogP
4
HBA
3
HBD
65.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.19
EC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 8.17 | 8.17 | 6.7 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | EC50 | = | 6.7 | nM | 8.17 | Potency in adenylate cyclase functional assay against Dopamine receptor D1 | 10360732 |
| D(1A) dopamine receptor | Ki | = | 65.0 | nM | 7.19 | Binding affinity to Dopamine receptor D1 by using radioligand [125I]SCH-23982 in... | 10360732 |
| D(2) dopamine receptor | Ki | = | 2500.0 | nM | 5.6 | Binding affinity to human Dopamine receptor D2 by using radioligand [3H]spiperon... | 10360732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10360732 | 10.1016/s0960-894x(99)00214-0 | D(1A) dopamine receptor | 3 |
| 10360732 | 10.1016/s0960-894x(99)00214-0 | D(2) dopamine receptor | 1 |
| 10360732 | 10.1016/s0960-894x(99)00214-0 | Dopamine D1 and D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine